Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Ethyne SCHEMBL28729894 | 0.94 | KIF11 (0.43) | KIF11HTTSMN1; SMN2L3MBTL1CA2 | |
| Sulfuric Acid SCHEMBL28579626 | 0.85 | CA5A (0.50) | SMN1; SMN2CA2CA12CA9ALDH1A1 | |
| Biphenyl SCHEMBL21462355 | 0.84 | ALDH1A1 (0.53) | SMN1; SMN2CA2CA12CA9ALDH1A1 | |
| Biphenyl SCHEMBL8018321 | 0.82 | ALDH1A1 (0.50) | SMN1; SMN2CA2CA12CA9ALDH1A1 | |
| SCHEMBL27483186 | 0.82 | ALDH1A1 (0.50) | SMN1; SMN2CA2CA12CA9ALDH1A1 | |
| SCHEMBL29000704 | 0.79 | KIF11 (0.46) | KIF11HTTSMN1; SMN2CA2CA12 | |
| Sulfamate SCHEMBL16030363 | 0.79 | CA2 (0.58) | KIF11CA2CA12CA9ALDH1A1 | |
| SCHEMBL28037892 | 0.79 | CA12 (0.43) | KIF11HTTSMN1; SMN2CA2CA12 | |
| SCHEMBL27676862 | 0.79 | CA12 (0.43) | HTTSMN1; SMN2CA2CA12CA9 | |
| Hydroquinone SCHEMBL28903112 | 0.76 | ENPP2 (0.65) | HTTSMN1; SMN2CA2CA12CA9 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117679394-A | Amphiphilic small molecule double-prodrug nanoparticle for pH response type drug release in tumor microenvironment and preparation method and application thereof | 宁夏医科大学 | 2024-03-12 | — | — | CN | claimed |
| CN-118085290-A | Preparation method and application of MQ resin | 武汉中科先进材料科技有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-117679394-A | Amphiphilic small molecule double-prodrug nanoparticle for pH response type drug release in tumor microenvironment and preparation method and application thereof | 宁夏医科大学 | 2024-03-12 | — | — | CN | disclosed |
| US-20210024498-A1 | TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF | MEDICONNS SHANGHAI BIOPHARMACEUTICAL CO LTD (CN) | 2021-01-28 | — | — | US | disclosed |
| EP-3733670-A1 | TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF | Mediconns (Shanghai) Biopharmaceutical Co., Ltd (CN) | 2020-11-04 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20210024498-A1 | TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF | PRLHR, DRD2, AVPR2 | KIF11 613/4885HTT 1065/4885SMN1; SMN2 4414/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.